Vitas-M small molecule compound
N-benzyl-2-{(3Z)-3-[3-(2-ethylhexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetamide
Catalog ID
STK816081
SMILES CCCCC(CN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)NCc2ccccc2)/C1=O)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-3-5-11-19(4-2)17-31-27(34)25(36-28(31)35)24-21-14-9-10-15-22(21)30(26(24)33)18-23(32)29-16-20-12-7-6-8-13-20/h6-10,12-15,19H,3-5,11,16-18H2,1-2H3,(H,29,32)/b25-24-InChIKey
GMAQCONPYCIVKP-IZHYLOQSSA-NSynonyms
CCCCC(CC)CN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)NCc2ccccc2)C1=O)CC
InChI=1SC28H31N3O3S2c1351119(42)173127(34)25(3628(31)35)2421149101522(21)30(26(24)33)1823(32)291620127681320h610121519H35111618H212H3(H2932)b2524
MFCD06642683
NBENZYL2((3Z)3(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETAMIDE
Nbenzyl2((3Z)3(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetamide
ZINC000016733040
ZINC000016733043
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